ChemSpider 2D Image | (2R)-2-[(2S)-5-Iodo-2,3-dihydro-1H-indol-2-yl]-1-methoxy-5,6-dimethyl-5-hepten-2-ol | C18H26INO2

(2R)-2-[(2S)-5-Iodo-2,3-dihydro-1H-indol-2-yl]-1-methoxy-5,6-dimethyl-5-hepten-2-ol

  • Molecular FormulaC18H26INO2
  • Average mass415.309 Da
  • Monoisotopic mass415.100800 Da
  • ChemSpider ID57581924
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-2-[(2S)-5-Iod-2,3-dihydro-1H-indol-2-yl]-1-methoxy-5,6-dimethyl-5-hepten-2-ol [German] [ACD/IUPAC Name]
(2R)-2-[(2S)-5-Iodo-2,3-dihydro-1H-indol-2-yl]-1-methoxy-5,6-dimethyl-5-hepten-2-ol [ACD/IUPAC Name]
(2R)-2-[(2S)-5-Iodo-2,3-dihydro-1H-indol-2-yl]-1-méthoxy-5,6-diméthyl-5-heptén-2-ol [French] [ACD/IUPAC Name]
1H-Indole-2-methanol, α-(3,4-dimethyl-3-penten-1-yl)-2,3-dihydro-5-iodo-α-(methoxymethyl)-, (αR,2S)- [ACD/Index Name]
(2R)-2-[(2S)-2,3-dihydro-5-iodo-1H-indol-2-yl]-1-methoxy-5,6-dimethylhept-5-en-2-ol
586390-85-4 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 509.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 261.7±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 99.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 5.27
ACD/BCF (pH 5.5): 5953.46
ACD/KOC (pH 5.5): 17353.77
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 6155.78
ACD/KOC (pH 7.4): 17943.48
Polar Surface Area: 41 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 299.0±3.0 cm3

Click to predict properties on the Chemicalize site






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